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4-Methoxy-3-nitrobenzyl 4-{[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}-1,2,5-oxadiazole-3-carboxylate
SpectraBase Compound ID KKBUYW8mqCk
InChI InChI=1S/C17H18N6O6/c1-10-6-11(2)22(19-10)9-18-16-15(20-29-21-16)17(24)28-8-12-4-5-14(27-3)13(7-12)23(25)26/h4-7H,8-9H2,1-3H3,(H,18,21)
InChIKey JDAZLXLCEBJTRK-UHFFFAOYSA-N
Mol Weight 402.37 g/mol
Molecular Formula C17H18N6O6
Exact Mass 402.128782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRX0D0nTkHa
Name 4-Methoxy-3-nitrobenzyl 4-{[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}-1,2,5-oxadiazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N6O6
InChI InChI=1S/C17H18N6O6/c1-10-6-11(2)22(19-10)9-18-16-15(20-29-21-16)17(24)28-8-12-4-5-14(27-3)13(7-12)23(25)26/h4-7H,8-9H2,1-3H3,(H,18,21)
InChIKey JDAZLXLCEBJTRK-UHFFFAOYSA-N
Molecular Weight 402.367 g/mol
SMILES N(c1c(non1)C(OCc1cc(N(=O)=O)c(cc1)OC)=O)C[n]1nc(C)cc1C
SPLASH splash10-000b-9500000000-22697441449d51a86597
Synonyms (4-methoxy-3-nitro-phenyl)methyl 4-[(3,5-dimethylpyrazol-1-yl)methylamino]-1,2,5-oxadiazole-3-carboxylate 4-[(3,5-dimethyl-1-pyrazolyl)methylamino]-1,2,5-oxadiazole-3-carboxylic acid (4-methoxy-3-nitrophenyl)methyl ester 4-[(3,5-dimethylpyrazol-1-yl)methylamino]furazan-3-carboxylic acid (4-methoxy-3-nitro-benzyl) ester
Wiley ID 1463363